tert-butyl (2S)-2-butyl-4-(2,3-dimethylphenyl)-5-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-butyl-4-(2,3-dimethylphenyl)-5-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl (2S)-2-butyl-4-(2,3-dimethylphenyl)-5-oxo-piperazine-1-carboxylate CAS Name: (2S)-2-butyl-4-(2,3-dimethylphenyl)-5-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-butyl-4-(2,3-dimethylphenyl)-5-oxopiperazine-1-carboxylate Traditional Name: (2S)-2-butyl-4-(2,3-dimethylphenyl)-5-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C21H32N2O3 MolecularWeight: 360.49038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(C(=O)CN1C(=O)OC(C)(C)C)C2=CC=CC(=C2C)C

Isomeric SMILES

CCCC[C@H]1CN(C(=O)CN1C(=O)OC(C)(C)C)C2=CC=CC(=C2C)C

InChI

InChI=1S/C21H32N2O3/c1-7-8-11-17-13-23(18-12-9-10-15(2)16(18)3)19(24)14-22(17)20(25)26-21(4,5)6/h9-10,12,17H,7-8,11,13-14H2,1-6H3/t17-/m0/s1